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PSB-1491

CAT: 0931-T24680-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T24680-06Size:100 mg
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CAS Number
1619884-67-1
Target
Monoamine Oxidase, MAO
Related Pathways
Metabolism, Neuroscience
Purity
0.9968
Bioactivity
PSB-1491 is a selective and competitive monoamine oxidase B inhibitor with an IC50 of 0.386 nM, demonstrating over 25,000-fold selectivity compared to MAO-A.
Smiles
CN1C=2C(=CC(C(NC3=CC(Cl)=C(Cl)C=C3)=O)=CC2)C=N1
Molecular Formula
C15H11Cl2N3O
Molecular Weight
320.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(3,4-dichlorophenyl)-1-methyl-1H-indazole-5-carboxamide

a monoamine oxidase B inhibitor; structure in first source

CAS Number1619884-67-1
PubChem CID77844667
IUPAC NameN-(3,4-dichlorophenyl)-1-methylindazole-5-carboxamide
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.2
XLogP3.7
Topological Polar Surface Area46.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity395
SMILES
CN1C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl)C=N1
InChI
InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)
InChIKey
OIDIFCINLNNUKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3,4-dichlorophenyl)-1-methyl-1H-indazole-5-carboxamide
CAS: 1619884-67-1
CID: 77844667
Formula: C15H11Cl2N3O
MW: 320.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight320.2
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass319.0279174
Monoisotopic Mass319.0279174
Topological Polar Surface Area46.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity395
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes